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expanded-ensemble

Here are 2 public repositories matching this topic...

wehs7661 / sampling_simulator

A python package for simulating sampling behaviors of enhanced sampling simulations

molecular-dynamics enhanced-sampling metadynamics expanded-ensemble replica-exchange

Updated Mar 7, 2024
Python

karnesh / expanded-ensemble

Free energy from expanded ensemble simulations

free-energy expanded-ensemble

Updated Nov 28, 2018
Python

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